1-(prop-1-enylamino)ethanol

C5H11NO — CID 174388282

IUPAC1-(prop-1-enylamino)ethanol
SMILESCC=CNC(C)O
InChIInChI=1S/C5H11NO/c1-3-4-6-5(2)7/h3-7H,1-2H3
InChIKeyCBMCQTJEQIVACF-UHFFFAOYSA-N
MW101.15 g/mol
LogP0.45
Rot. Bonds2

About 1-(prop-1-enylamino)ethanol

1-(prop-1-enylamino)ethanol (PubChem CID 174388282) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is 1-(prop-1-enylamino)ethanol.

Molecular Properties

Compound Name1-(prop-1-enylamino)ethanol
PubChem CID174388282
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name1-(prop-1-enylamino)ethanol
SMILESCC=CNC(C)O
InChIInChI=1S/C5H11NO/c1-3-4-6-5(2)7/h3-7H,1-2H3
InChIKeyCBMCQTJEQIVACF-UHFFFAOYSA-N
XLogP0.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(prop-1-enylamino)ethanol?
The IUPAC name of 1-(prop-1-enylamino)ethanol (CID 174388282) is 1-(prop-1-enylamino)ethanol.
What is the SMILES notation for 1-(prop-1-enylamino)ethanol?
The canonical SMILES for 1-(prop-1-enylamino)ethanol is CC=CNC(C)O.
What is the InChIKey of 1-(prop-1-enylamino)ethanol?
The InChIKey is CBMCQTJEQIVACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-3-4-6-5(2)7/h3-7H,1-2H3.
What are the key properties of 1-(prop-1-enylamino)ethanol?
1-(prop-1-enylamino)ethanol has a molecular weight of 101.15 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(prop-1-enylamino)ethanol is sourced from PubChem (CID 174388282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).